N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide

C21H23N7O2 — CID 70703115

IUPACN-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccn(-c2cc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)ncn2)n1
InChIInChI=1S/C21H23N7O2/c1-16-7-8-28(25-16)19-13-18(23-15-24-19)26-9-11-27(12-10-26)20(29)14-22-21(30)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,30)
InChIKeyGVXRJEWHJFMBRX-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.05
Rot. Bonds5

About N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 70703115) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID70703115
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccn(-c2cc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)ncn2)n1
InChIInChI=1S/C21H23N7O2/c1-16-7-8-28(25-16)19-13-18(23-15-24-19)26-9-11-27(12-10-26)20(29)14-22-21(30)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,30)
InChIKeyGVXRJEWHJFMBRX-UHFFFAOYSA-N
XLogP1.05
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122344765
N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide
CID 122328197
(2-methylphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70704010
(3-bromophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344973
2,2-dimethyl-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70704009
2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122344850
N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 70704053
(2-fluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70703320
(4-chlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56923029
3-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122344795
N-(2,6-difluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122344725
1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122344891

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 70703115) is N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide is Cc1ccn(-c2cc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)ncn2)n1.
What is the InChIKey of N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is GVXRJEWHJFMBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-16-7-8-28(25-16)19-13-18(23-15-24-19)26-9-11-27(12-10-26)20(29)14-22-21(30)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,30).
What are the key properties of N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 70703115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).